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Yorodumi- ChemComp-AEE: 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: AEE | ||
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Name | Name: Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C27H32N6 / Number of atoms: 65 / Formula weight: 440.583 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AEE | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / DrugBank / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 4 items
PDB-2itp:
Crystal structure of EGFR kinase domain G719S mutation in complex with AEE788
PDB-2itt:
Crystal structure of EGFR kinase domain L858R mutation in complex with AEE788
PDB-2j6m:
Crystal structure of EGFR kinase domain in complex with AEE788
PDB-2jiu:
Crystal structure of EGFR kinase domain T790M mutation in complex with AEE788